SCHEMBL7378002

SCHEMBL7378002

CC1(c2ccc(SSc3ccc(C4(C)OCCO4)cc3)cc2)OCCO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24742132 0.85 SLC6A4 (0.39) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL22613508 0.79 ALDH1A1 (0.45) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2082178 0.77 LMNA (0.42) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL4588500 0.76 ESR2 (0.41) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3884112 0.76 CYP19A1 (0.40) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL5616874 0.76 SMN1; SMN2 (0.54) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL9047543 0.76 TSHR (0.38) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL587682 0.76 TAAR1 (0.42) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2084415 0.76 LMNA (0.54) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL1932565 0.76 TSHR (0.38) TSHRSMN1; SMN2LMNAALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997042168-A1 THIO DERIVATIVES OF HYDROXAMIC ACIDS ZENECA LIMITED (GB) 1997-11-13 WO disclosed
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5420298-A Antiinflammatory agents by inhibition of leukotrienes ZENECA LIMITED (GB) 1995-05-30 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed